2-[3-butan-2-yl-6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[3-butan-2-yl-6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-3-sec-butyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[3-butan-2-yl-6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[3-butan-2-yl-6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-keto-3-sec-butyl-1,4-thiazepan-4-yl]acetic acid Formula: C25H38N2O5S MolecularWeight: 478.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C(C)CC

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C(C)CC

InChI

InChI=1S/C25H38N2O5S/c1-4-6-14-32-25(31)20(13-12-19-10-8-7-9-11-19)26-21-16-33-17-22(18(3)5-2)27(24(21)30)15-23(28)29/h7-11,18,20-22,26H,4-6,12-17H2,1-3H3,(H,28,29)